2-(azepan-1-ium-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[[4-(morpholinomethyl)phenyl]methyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[[4-(4-morpholinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(morpholinomethyl)benzyl]acetamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)CN3CCOCC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)CN3CCOCC3

InChI

InChI=1S/C20H31N3O2/c24-20(17-22-9-3-1-2-4-10-22)21-15-18-5-7-19(8-6-18)16-23-11-13-25-14-12-23/h5-8H,1-4,9-17H2,(H,21,24)/p+1